Results 161 to 170 of about 70,207 (317)
Unifying Decoherence and Phase Evolution in Mixed Quantum-Classical Dynamics through Exact Factorization. [PDF]
J Phys Chem LettHa JK, Kim SH, Min SK.
europepmc +1 more source
ChemistryEurope, EarlyView.The linear and nonlinear (chir)optical properties of four oligoamide foldamers with different donor groups are studied by means of time‐dependent density functional theory calculations. It is shown that stronger donors yield larger hyperpolarizabilities due to low‐lying charge–transfer states. The agreement with the experiments concerning the key bands
Komlanvi Sèvi Kaka +5 more
wiley +1 more source
Quantum feedback-enhanced discord in T-shaped plasmonic waveguides with embedded cavity. [PDF]
Sci RepSadeghi H, Mirzaee M, Zarei R.
europepmc +1 more source
Sodium Tetraazidoaurate(III)—From Na[AuCl4]·2H2O to Na[Au(N3)4] and Beyond One Step at a Time
Chemistry – A European Journal, EarlyView.Novel sodium chlorido‐/azidoaurate(III) dihydrates Na[AuCl4–x(N3)x]·2H2O (x = 0, 1, 2, 3, 4) provide the first example of a complete series of gradual substitution on tetramer complex anions to be described. Controlled dehydration of Na[Au(N3)4]·2H2O leads to Na[Au(N3)4]·H2O and Na[Au(N3)4], the latter being a highly explosive material.
Mehmet Somer +10 more
wiley +1 more source
Advancing quantum imaging through learning theory. [PDF]
Nat CommunWang Y, Oh C, Liu J, Jiang L, Zhou S.
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Arte Inglese Oggi,Milan, 1976: Between Formalism and Conceptual Art
, 2016 Elena Crippa
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Uncertainty Calibration in Molecular Machine Learning: Comparing Evidential and Ensemble Approaches
Chemistry – A European Journal, EarlyView.Raw uncertainty estimates from deep evidential regression and deep ensembles are systematically miscalibrated. Post hoc calibration aligns predicted uncertainty with true errors, improving reliability and enabling efficient active learning and reducing computational cost while preserving predictive accuracy.
Bidhan Chandra Garain +3 more
wiley +1 more source
Bridging developmental and statistical approaches to variation and evolution. [PDF]
Proc Natl Acad Sci U S AMilocco L, Uller T.
europepmc +1 more source